Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 3/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20263999 | 1.00 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29797040 | 0.95 | GAA (0.37) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20280033 | 0.91 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29796978 | 0.91 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26962099 | 0.90 | GAA (0.44) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26961679 | 0.89 | GAA (0.38) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29797018 | 0.89 | GAA (0.38) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL31374892 | 0.89 | GAA (0.38) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26961952 | 0.88 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26962176 | 0.88 | GAA (0.38) | GAAEPHX2NFKB1NFKB2RELA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |